{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 10.411 0 0 ] "si-unit" "m" "si-value" [ 1.0411e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.29438 9.21066 0 ] "si-unit" "m" "si-value" [ -5.294380000000001e-10 9.210660000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.225117 -0.0675308 10.2123 ] "si-unit" "m" "si-value" [ -2.25117e-11 -6.75308e-12 1.02123e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.032644 -0.348865 0.262117 ] [ 0.0895591 0.0919407 2.92005 ] [ 0.132511 0.0877004 5.1977 ] [ -0.387306 -0.579647 7.71063 ] [ -1.39484 2.2423 0.430563 ] [ -1.46759 1.95149 2.37315 ] [ -1.49513 2.24499 4.89593 ] [ -1.51482 2.26793 7.74871 ] [ -2.60635 4.58616 0.485327 ] [ -2.69256 4.48069 2.67269 ] [ -2.72927 4.56722 5.31696 ] [ -2.89421 4.44106 7.87764 ] [ -3.94579 6.84436 0.0641042 ] [ -4.08301 6.85325 2.63122 ] [ -4.51897 6.91495 5.13935 ] [ -4.09555 6.92809 7.99318 ] [ 2.65588 0.0182102 0.184703 ] [ 2.65332 -0.273709 2.75315 ] [ 2.59953 -0.270718 5.54693 ] [ 2.14279 0.0901647 8.06584 ] [ 1.3739 2.00123 0.0421206 ] [ 1.57539 2.15566 2.62554 ] [ 1.1634 2.17468 5.30039 ] [ 1.01377 2.05654 7.47411 ] [ -0.0124658 4.65353 0.0422212 ] [ -0.2125 4.23955 2.95357 ] [ -0.0815717 4.0382 5.32116 ] [ -0.254481 4.43847 7.97266 ] [ -1.57641 7.03783 -0.081675 ] [ -1.42092 6.46247 2.79682 ] [ -1.49707 6.77968 5.43924 ] [ -1.36691 6.61651 7.63316 ] [ 5.18815 -0.0976661 -0.221188 ] [ 5.00848 -0.0939251 2.4953 ] [ 5.07255 -0.0605492 5.51938 ] [ 4.96358 -0.266651 7.69705 ] [ 3.99473 2.38395 0.117111 ] [ 3.87483 2.26191 2.78385 ] [ 3.90332 2.16788 5.36154 ] [ 3.42601 2.22366 8.16952 ] [ 2.44878 4.51192 0.300057 ] [ 2.35265 4.71794 3.08973 ] [ 2.45121 4.56732 5.75721 ] [ 2.47528 4.47056 7.94989 ] [ 1.35813 6.92705 0.690128 ] [ 1.30729 6.80619 2.84456 ] [ 1.15128 6.72026 5.06169 ] [ 1.06069 6.72297 8.10403 ] [ 7.98813 0.0646273 0.348553 ] [ 7.81184 -0.0381409 2.73794 ] [ 7.91579 -0.345681 5.60963 ] [ 7.67692 -0.122649 8.16693 ] [ 6.65958 2.51772 0.112505 ] [ 6.53716 2.24303 2.45744 ] [ 6.69999 2.26023 5.12355 ] [ 6.34109 2.14616 8.04966 ] [ 5.26606 4.55868 0.309546 ] [ 5.14345 4.38936 2.56679 ] [ 5.15982 4.46608 5.65685 ] [ 5.17008 4.33331 8.20244 ] [ 3.93881 6.94156 0.784897 ] [ 3.73503 7.06085 3.16928 ] [ 3.88909 6.7996 5.18682 ] [ 3.70294 6.72284 8.16498 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2644e-12 -3.48865e-11 2.6211699999999998e-11 ] [ 8.95591e-12 9.19407e-12 2.92005e-10 ] [ 1.32511e-11 8.77004e-12 5.197700000000001e-10 ] [ -3.87306e-11 -5.7964700000000005e-11 7.71063e-10 ] [ -1.39484e-10 2.2423000000000004e-10 4.30563e-11 ] [ -1.46759e-10 1.95149e-10 2.3731499999999997e-10 ] [ -1.49513e-10 2.2449900000000002e-10 4.89593e-10 ] [ -1.5148200000000002e-10 2.2679299999999997e-10 7.74871e-10 ] [ -2.60635e-10 4.58616e-10 4.85327e-11 ] [ -2.69256e-10 4.4806900000000003e-10 2.67269e-10 ] [ -2.7292700000000003e-10 4.56722e-10 5.31696e-10 ] [ -2.8942100000000003e-10 4.4410600000000005e-10 7.877640000000001e-10 ] [ -3.9457900000000004e-10 6.84436e-10 6.4104200000000005e-12 ] [ -4.08301e-10 6.85325e-10 2.63122e-10 ] [ -4.5189700000000004e-10 6.91495e-10 5.13935e-10 ] [ -4.0955500000000004e-10 6.92809e-10 7.99318e-10 ] [ 2.65588e-10 1.82102e-12 1.84703e-11 ] [ 2.65332e-10 -2.7370899999999998e-11 2.7531500000000005e-10 ] [ 2.5995300000000004e-10 -2.7071800000000002e-11 5.54693e-10 ] [ 2.1427900000000003e-10 9.016470000000001e-12 8.06584e-10 ] [ 1.3739e-10 2.00123e-10 4.21206e-12 ] [ 1.5753900000000002e-10 2.1556600000000003e-10 2.62554e-10 ] [ 1.1634000000000001e-10 2.17468e-10 5.300390000000001e-10 ] [ 1.0137700000000002e-10 2.0565400000000002e-10 7.47411e-10 ] [ -1.2465800000000001e-12 4.6535300000000003e-10 4.22212e-12 ] [ -2.125e-11 4.2395500000000006e-10 2.9535700000000003e-10 ] [ -8.15717e-12 4.0382e-10 5.32116e-10 ] [ -2.5448100000000002e-11 4.43847e-10 7.97266e-10 ] [ -1.5764100000000002e-10 7.037829999999999e-10 -8.1675e-12 ] [ -1.42092e-10 6.46247e-10 2.79682e-10 ] [ -1.49707e-10 6.77968e-10 5.439240000000001e-10 ] [ -1.36691e-10 6.61651e-10 7.633160000000001e-10 ] [ 5.18815e-10 -9.76661e-12 -2.21188e-11 ] [ 5.00848e-10 -9.39251e-12 2.4953e-10 ] [ 5.07255e-10 -6.05492e-12 5.51938e-10 ] [ 4.96358e-10 -2.6665100000000005e-11 7.69705e-10 ] [ 3.9947300000000004e-10 2.3839500000000003e-10 1.1711100000000001e-11 ] [ 3.87483e-10 2.26191e-10 2.78385e-10 ] [ 3.90332e-10 2.16788e-10 5.36154e-10 ] [ 3.4260100000000005e-10 2.2236600000000002e-10 8.169520000000001e-10 ] [ 2.44878e-10 4.51192e-10 3.00057e-11 ] [ 2.35265e-10 4.71794e-10 3.08973e-10 ] [ 2.4512100000000004e-10 4.56732e-10 5.75721e-10 ] [ 2.47528e-10 4.47056e-10 7.949890000000001e-10 ] [ 1.3581300000000002e-10 6.92705e-10 6.90128e-11 ] [ 1.3072900000000001e-10 6.806190000000001e-10 2.84456e-10 ] [ 1.1512800000000002e-10 6.72026e-10 5.06169e-10 ] [ 1.0606899999999999e-10 6.72297e-10 8.10403e-10 ] [ 7.98813e-10 6.46273e-12 3.4855300000000004e-11 ] [ 7.81184e-10 -3.81409e-12 2.7379400000000003e-10 ] [ 7.915790000000001e-10 -3.4568100000000005e-11 5.60963e-10 ] [ 7.67692e-10 -1.22649e-11 8.166930000000001e-10 ] [ 6.65958e-10 2.51772e-10 1.12505e-11 ] [ 6.537160000000001e-10 2.2430300000000002e-10 2.45744e-10 ] [ 6.69999e-10 2.26023e-10 5.12355e-10 ] [ 6.341090000000001e-10 2.1461600000000002e-10 8.049659999999999e-10 ] [ 5.266060000000001e-10 4.55868e-10 3.09546e-11 ] [ 5.143449999999999e-10 4.38936e-10 2.5667900000000003e-10 ] [ 5.15982e-10 4.46608e-10 5.656850000000001e-10 ] [ 5.170079999999999e-10 4.33331e-10 8.20244e-10 ] [ 3.9388100000000005e-10 6.94156e-10 7.84897e-11 ] [ 3.7350300000000003e-10 7.06085e-10 3.1692800000000005e-10 ] [ 3.88909e-10 6.7996e-10 5.18682e-10 ] [ 3.70294e-10 6.72284e-10 8.16498e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3971834 -0.8727595 0.4799224 ] [ -0.7267236 -0.3897277 -1.9042176 ] [ 0.0534564 -1.8395847 1.7312776 ] [ 2.096351 2.360117 -0.9171926 ] [ -1.4943763 6.8457186 -44.861248 ] [ -3.4099703 -6.8980797 46.9046652 ] [ 4.3581954 0.6451026 -1.3219107 ] [ -0.6551422 2.0068561 -0.0999615 ] [ -1.5759931 -0.9819091 -4.879404 ] [ -0.3130305 -1.7056916 4.1721548 ] [ 0.541778 -2.0302556 0.1255092 ] [ 0.3399397 -1.078602 -0.2784778 ] [ -0.8164939 0.1707514 2.1556616 ] [ -0.8458875 0.7617238 -0.2728929 ] [ 30.4922673 3.4822334 -2.0024492 ] [ -0.8144054 1.0144138 0.4996721 ] [ 0.0464818 -0.8438382 -0.779307 ] [ -1.6080648 0.4459988 -1.3109771 ] [ -0.2381732 0.0280389 0.7957832 ] [ -0.7281893 0.4516197 0.0161346 ] [ 2.546173 -1.1881849 0.301524 ] [ -1.0127235 -1.3625527 0.369261 ] [ 0.7337687 -1.441026 -5.2931812 ] [ 0.4896303 0.4090932 5.5143969 ] [ -0.0179805 0.4410375 0.6981783 ] [ -1.6288203 -0.1468171 1.1891082 ] [ -0.9296801 0.9330795 0.0551304 ] [ -0.7179707 0.2986706 -2.1152677 ] [ -1.6389413 1.2326748 -1.42796 ] [ -0.7834631 -1.316223 0.5713966 ] [ 0.0019452 1.2658489 -3.9900078 ] [ 1.4774211 -0.6941657 5.7798596 ] [ -2.1683182 -0.7012607 1.0509986 ] [ -0.5373424 0.7674396 -1.1049678 ] [ -2.3099508 -0.1124283 -3.635131 ] [ -0.2549011 -2.3643388 4.8563622 ] [ 0.5712296 1.1626342 4.7138918 ] [ 1.7079006 -0.1727685 -0.9135304 ] [ -0.2865229 -0.5783313 -0.1757032 ] [ -3.1518694 0.1564808 -4.3232067 ] [ -0.2329137 -0.4370294 -1.2141474 ] [ -1.3197452 1.174179 0.4379552 ] [ -1.0435636 0.3284618 -5.9792051 ] [ 0.3349905 -0.4757904 5.6922176 ] [ 2.2201723 0.2812685 -7.1997207 ] [ 2.5843183 0.1165484 4.3445059 ] [ 1.6982291 -0.5470417 2.3182029 ] [ -1.0817477 -0.3585508 0.2480117 ] [ 2.0389375 0.6425535 1.6087968 ] [ 1.7842514 -0.9813266 -1.9261972 ] [ 2.0441233 -1.7005906 -0.1822661 ] [ 0.7375435 -0.4280235 -0.3579802 ] [ 0.5532628 2.5911451 2.0641579 ] [ 2.2282492 1.792399 -0.9411522 ] [ -2.2284528 2.1641487 -0.2723469 ] [ 1.4006239 1.7992289 0.8637024 ] [ 2.5062881 -1.3990792 -1.432169 ] [ 2.2252115 -1.8049455 -0.4980111 ] [ 0.5271629 0.8659496 1.0164085 ] [ 0.4487752 -1.3287517 -0.0128311 ] [ 0.3530199 1.276394 0.6432899 ] [ -2.5997243 4.6940714 -24.2110577 ] [ -31.1583697 -3.8323861 23.7639954 ] [ -1.2094295 -2.5938206 0.8519465 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.363579576498547e-10 -1.3983148664810977e-09 7.68920449078226e-10 ] [ -1.164339561703611e-09 -6.244126094181562e-10 -3.050892919635886e-09 ] [ 8.564659431213312e-11 -2.947339598321382e-09 2.7738124948347343e-09 ] [ 3.3587245611907006e-09 3.781324279752634e-09 -1.4695045404907662e-09 ] [ -2.3942547705376075e-09 1.0968050293495707e-08 -7.187564272551077e-08 ] [ -5.463374692282362e-09 -1.1051942023755079e-08 7.514955798989136e-08 ] [ 6.982598778758104e-09 1.033568303737294e-09 -2.1179344183253627e-09 ] [ -1.0496535161394777e-09 3.2153379247298667e-09 -1.6015597828009919e-10 ] [ -2.5250192993621166e-09 -1.5731918037707694e-09 -7.817667012238004e-09 ] [ -5.015301486973344e-10 -2.7328192038149452e-09 6.684528878918501e-09 ] [ 8.680240452637824e-10 -3.2528280565682765e-09 2.0108790593531134e-10 ] [ 5.446434398217658e-10 -1.7281109075481218e-09 -4.4617062057181827e-10 ] [ -1.3081674376058132e-09 2.735739010488691e-10 3.4537506178763216e-09 ] [ -1.3552611763269601e-09 1.220416063866935e-09 -4.3722262436231233e-10 ] [ 4.885399778324434e-08 5.579152941648895e-09 -3.2082772925796634e-09 ] [ -1.3048212917332722e-09 1.6252700741768872e-09 8.005629566860398e-10 ] [ 7.447205325270143e-11 -1.3519778357779546e-09 -1.2485874558257856e-09 ] [ -2.576403827291428e-09 7.145688502648551e-10 -2.1004168600241836e-09 ] [ -3.815955327411226e-10 4.4923270052949116e-11 1.2749852382654106e-09 ] [ -1.1666878719767175e-09 7.235745248327098e-10 2.585047890595968e-11 ] [ 4.079418853112198e-09 -1.903682067967586e-09 4.830947034100992e-10 ] [ -1.622561915034749e-09 -2.1830500805479163e-09 5.916213411732289e-10 ] [ 1.175627056214809e-09 -2.308778167164941e-09 -8.48061116829809e-09 ] [ 7.844742194952903e-10 6.554395607682585e-10 8.835037790991996e-09 ] [ -2.88079367302944e-11 7.0661997139608e-10 1.1186049494098887e-09 ] [ -2.6096578041444424e-09 -2.352269251536557e-10 1.9051613576415707e-09 ] [ -1.489511721043006e-09 1.4949581602477537e-09 8.832863797535233e-11 ] [ -1.1503158699594105e-09 4.785230526403085e-10 -3.3890324556733884e-09 ] [ -2.625873433723559e-09 1.9749627456093162e-09 -2.287844127437568e-09 ] [ -1.2552462620794924e-09 -2.1088217183592384e-09 9.154782737246094e-10 ] [ 3.11655396278016e-12 2.028113513045397e-09 -6.392697213969642e-09 ] [ 2.367089545496619e-09 -1.1121760555012666e-09 9.26035592262644e-09 ] [ -3.4740287264951383e-09 -1.1235434986258426e-09 1.683885385413531e-09 ] [ -8.60917430644562e-10 1.2295737849961037e-09 -1.7703535758968103e-09 ] [ -3.700949166958257e-09 -1.8012999377628863e-10 -5.824121901745325e-09 ] [ -4.0839658303620286e-10 -3.788088349010327e-09 7.780749978976854e-09 ] [ 9.152107102289357e-10 1.8627453337825113e-09 7.552487234940829e-09 ] [ 2.736358411970293e-09 -2.768056515106848e-10 -1.4636370492700723e-09 ] [ -4.5906029170381635e-10 -9.265888879368711e-10 -2.8150755923974655e-10 ] [ -5.049851464494924e-09 2.5070987936408065e-10 -6.92654070162592e-09 ] [ -3.73168884804025e-10 -7.001982872822515e-10 -1.945278578485106e-09 ] [ -2.1144649048530203e-09 1.8812421424343235e-09 7.016815823977882e-10 ] [ -1.671973202237883e-09 5.262538167858855e-10 -9.579742622188127e-09 ] [ 5.367139472901025e-10 -7.623002552810804e-10 9.119937959226287e-09 ] [ 3.5571081532077644e-09 4.5064181486748476e-10 -1.1535224181829812e-08 ] [ 4.140534360965601e-09 1.8673112167164673e-10 6.960665781907663e-09 ] [ 2.7208629607822254e-09 -8.764574223426873e-10 3.7141704886507606e-09 ] [ -1.7331508745441722e-09 -5.744617091291367e-10 3.9735854742486336e-10 ] [ 3.2667379937724e-09 1.0294841953132128e-09 2.5775766205778534e-09 ] [ 2.8586858787096694e-09 -1.5722585358891535e-09 -3.086108120890422e-09 ] [ 3.2750465612925447e-09 -2.7246465008722444e-09 -2.9202248418439485e-10 ] [ 1.181674952523005e-09 -6.857692448529889e-10 -5.735475071493083e-10 ] [ 8.864247233183463e-10 4.151472100320478e-09 3.3071455290196245e-09 ] [ 3.5700487735563036e-09 2.8717397729452993e-09 -1.5078920514544857e-09 ] [ -3.5703749767162983e-09 3.4673484510747135e-09 -4.3634783592735557e-10 ] [ 2.2440468671137173e-09 2.882682479047701e-09 1.38380379260885e-09 ] [ 4.015516198809253e-09 -2.2415719848875677e-09 -2.2945876888345152e-09 ] [ 3.565181841635299e-09 -2.8918414819181667e-09 -7.979017413188909e-10 ] [ 8.446080737331284e-10 1.3874042039111116e-09 1.628465935882397e-09 ] [ 7.190171334348441e-10 -2.1288949085882552e-09 -2.055768843914688e-11 ] [ 5.65600230457154e-10 2.045008625729395e-09 1.0306640381767699e-09 ] [ -4.165217493985646e-09 7.520731453445926e-09 -3.879039061177983e-08 ] [ -4.992121147558311e-08 -6.140159411298891e-09 3.8074117846678743e-08 ] [ -1.9377196694058335e-09 -4.155758723869428e-09 1.3649687644723873e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -664.09697 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.064000639278119e-16 } }